N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline

C12H16F3N — CID 70850579

IUPACN-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCCN(c1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C12H16F3N/c1-4-16(9(2)3)11-7-5-6-10(8-11)12(13,14)15/h5-9H,4H2,1-3H3
InChIKeyHRJLHLADINXUEE-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.94
Rot. Bonds3

About N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline

N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline (PubChem CID 70850579) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline
PubChem CID70850579
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCCN(c1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C12H16F3N/c1-4-16(9(2)3)11-7-5-6-10(8-11)12(13,14)15/h5-9H,4H2,1-3H3
InChIKeyHRJLHLADINXUEE-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
The IUPAC name of N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline (CID 70850579) is N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline is CCN(c1cccc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
The InChIKey is HRJLHLADINXUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-4-16(9(2)3)11-7-5-6-10(8-11)12(13,14)15/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline has a molecular weight of 231.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 70850579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).